Vitas-M small molecule compound
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Catalog ID
STK508086
SMILES O=c1n(c2ccccc2)c(nc2c1cccc2)Sc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H12F3N3O3S MW 443.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12F3N3O3S/c22-21(23,24)13-10-11-18(17(12-13)27(29)30)31-20-25-16-9-5-4-8-15(16)19(28)26(20)14-6-2-1-3-7-14/h1-12HInChIKey
USXIDEFKYXYBEE-UHFFFAOYSA-NSynonyms
2((2nitro4(trifluoromethyl)phenyl)sulfanyl)3phenylquinazolin4(3H)one
2(2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL3PHENYLQUINAZOLIN4ONE
2(2NITRO4(TRIFLUOROMETHYL)PHENYLTHIO)3PHENYL3HYDROQUINAZOLIN4ONE
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC21H12F3N3O3Sc2221(2324)13101118(17(1213)27(29)30)31202516954815(16)19(28)26(20)146213714h112H
MFCD01442237
O=c1n(c2ccccc2)c(nc2c1cccc2)Sc1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000002989110
ZINC02989110
ZINC2989110
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